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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207926

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1207926
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Yb', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Fe-N-O-Yb
  • Density: 2.208898382741321
  • Atomic Density: 0.05332923800021568
  • Unit Cell Volume: 675.0518355400916
  • Molar Volume: 11.292381038663338
  • Full Formula: Yb2 Fe2 C12 N12 O8
  • Reduced Formula: YbFeC6(N3O2)2
  • Formula Anonymous: ABC4D6E6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -262.4355168
  • Final energy per atom: -7.289875466666667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.